N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine

C14H30N2 — CID 62559187

IUPACN-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCCN1CCCC(C)C1C
InChIInChI=1S/C14H30N2/c1-12(2)7-8-15-9-11-16-10-5-6-13(3)14(16)4/h12-15H,5-11H2,1-4H3
InChIKeyUHQIJBKACWGIDP-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds6

About N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine

N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine (PubChem CID 62559187) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine
PubChem CID62559187
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCCN1CCCC(C)C1C
InChIInChI=1S/C14H30N2/c1-12(2)7-8-15-9-11-16-10-5-6-13(3)14(16)4/h12-15H,5-11H2,1-4H3
InChIKeyUHQIJBKACWGIDP-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 55090257
3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 61240080
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 62561600
1-(2,3-dimethylpiperidin-1-yl)-N,4,4-trimethylpentan-3-amine
CID 55098567
6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol
CID 62123783
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine
CID 55090112
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62560301
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62560300
4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 63028152
2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)butan-1-ol
CID 64786433
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575588

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine (CID 62559187) is N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine is CC(C)CCNCCN1CCCC(C)C1C.
What is the InChIKey of N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine?
The InChIKey is UHQIJBKACWGIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)7-8-15-9-11-16-10-5-6-13(3)14(16)4/h12-15H,5-11H2,1-4H3.
What are the key properties of N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine?
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 62559187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).